2-[(4-amino-3-fluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid

C15H19FN2O3 — CID 83209773

IUPAC2-[(4-amino-3-fluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCCC1NC(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C15H19FN2O3/c1-15(14(20)21)7-3-2-4-12(15)18-13(19)9-5-6-11(17)10(16)8-9/h5-6,8,12H,2-4,7,17H2,1H3,(H,18,19)(H,20,21)
InChIKeyGDEILPPUOPYPNO-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.17
Rot. Bonds3

About 2-[(4-amino-3-fluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid

2-[(4-amino-3-fluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid (PubChem CID 83209773) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-[(4-amino-3-fluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-amino-3-fluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
PubChem CID83209773
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name2-[(4-amino-3-fluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCCC1NC(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C15H19FN2O3/c1-15(14(20)21)7-3-2-4-12(15)18-13(19)9-5-6-11(17)10(16)8-9/h5-6,8,12H,2-4,7,17H2,1H3,(H,18,19)(H,20,21)
InChIKeyGDEILPPUOPYPNO-UHFFFAOYSA-N
XLogP2.17
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-Aminobenzoyl)-beta-alanine
CID 719629
N-(p-(3,3-Dimethyl-1-triazeno)benzoyl)-3-phenylalanine
CID 100166
Methyl 3-[(4-aminobenzoyl)amino]propanoate
CID 12469761
3-(4-{[(3-Carbamoylphenyl)methyl]amino}phenyl)propanoic acid
CID 24825506
4-[(4-Aminobenzoyl)amino]butanoic acid
CID 255979
5-(4-Dimethylaminobenzoyl)aminovaleric acid
CID 10563578
8-(2-Aminobenzoylamino)octanoic acid
CID 10660234
6-[[4-(Dimethylamino)benzoyl]amino]hexanoic acid
CID 23092260
7-(4-(Dimethylamino)benzamido)heptanoic acid
CID 10541690
8-[[4-(Dimethylamino)benzoyl]amino]octanoic acid
CID 10709803
4-amino-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 13795783
3-[[4-(Hexadecylamino)benzoyl]amino]propanoic acid
CID 44279786

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-fluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(4-amino-3-fluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid (CID 83209773) is 2-[(4-amino-3-fluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-amino-3-fluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(4-amino-3-fluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid is CC1(C(=O)O)CCCCC1NC(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 2-[(4-amino-3-fluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid?
The InChIKey is GDEILPPUOPYPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-15(14(20)21)7-3-2-4-12(15)18-13(19)9-5-6-11(17)10(16)8-9/h5-6,8,12H,2-4,7,17H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(4-amino-3-fluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid?
2-[(4-amino-3-fluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 2.17, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-fluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 83209773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).